ethyl 2-[[2-[(3-acetyloxy-7-carbamimidoyl-3-methyl-1-oxidanylidene-2-benzofuran-4-yl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[(3-acetyloxy-7-carbamimidoyl-3-methyl-1-oxidanylidene-2-benzofuran-4-yl)methyl]-1-methyl-indol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[(3-acetoxy-7-carbamimidoyl-3-methyl-1-oxo-isobenzofuran-4-yl)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(3-acetyloxy-7-carbamimidoyl-3-methyl-1-oxo-4-isobenzofuranyl)methyl]-1-methyl-5-indolyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3-acetyloxy-7-carbamimidoyl-3-methyl-1-oxo-2-benzofuran-4-yl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(3-acetoxy-7-amidino-1-keto-3-methyl-phthalan-4-yl)methyl]-1-methyl-indol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C35H33N5O8S MolecularWeight: 683.73022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)CC3=C4C(=C(C=C3)C(=N)N)C(=O)OC4(C)OC(=O)C)C)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=C2)CC3=C4C(=C(C=C3)C(=N)N)C(=O)OC4(C)OC(=O)C)C)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C35H33N5O8S/c1-5-46-29(42)19-40(49(44,45)28-10-6-8-21-9-7-15-38-32(21)28)24-12-14-27-23(17-24)18-25(39(27)4)16-22-11-13-26(33(36)37)30-31(22)35(3,47-20(2)41)48-34(30)43/h6-15,17-18H,5,16,19H2,1-4H3,(H3,36,37)