[aminocarbonyl-[1-(1-benzothiophen-2-yl)ethyl]amino] 2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]ethanoate

Systemtic Name: [aminocarbonyl-[1-(1-benzothiophen-2-yl)ethyl]amino] 2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]ethanoate Openeye Name: [1-(benzothiophen-2-yl)ethyl-carbamoyl-amino] 2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetate CAS Name: 2-[5-methoxy-2-methyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-indolyl]acetic acid [1-(1-benzothiophen-2-yl)ethyl-carbamoylamino] ester IUPAC Name: [1-(1-benzothiophen-2-yl)ethyl-carbamoylamino] 2-[5-methoxy-2-methyl-1-[(E)-3-phenylprop-2-enoyl]indol-3-yl]acetate Traditional Name: 2-[5-methoxy-2-methyl-1-[(E)-3-phenylacryloyl]indol-3-yl]acetic acid [1-(benzothiophen-2-yl)ethyl-carbamoyl-amino] ester Formula: C32H29N3O5S MolecularWeight: 567.65476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C=CC3=CC=CC=C3)C=CC(=C2)OC)CC(=O)ON(C(C)C4=CC5=CC=CC=C5S4)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1C(=O)/C=C/C3=CC=CC=C3)C=CC(=C2)OC)CC(=O)ON(C(C)C4=CC5=CC=CC=C5S4)C(=O)N

InChI

InChI=1S/C32H29N3O5S/c1-20-25(19-31(37)40-35(32(33)38)21(2)29-17-23-11-7-8-12-28(23)41-29)26-18-24(39-3)14-15-27(26)34(20)30(36)16-13-22-9-5-4-6-10-22/h4-18,21H,19H2,1-3H3,(H2,33,38)/b16-13+