4-[(4R,7R)-3-cyclopentyloxycarbonyl-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4R,7R)-3-cyclopentyloxycarbonyl-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4R,7R)-3-(cyclopentoxycarbonyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4R,7R)-3-[cyclopentyloxy(oxo)methyl]-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4R,7R)-3-cyclopentyloxycarbonyl-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4R,7R)-3-(cyclopentoxycarbonyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C27H27N2O7S- MolecularWeight: 523.57748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-])C(=O)OC5CCCC5

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)C[C@H](CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-])C(=O)OC5CCCC5

InChI

InChI=1S/C27H28N2O7S/c1-14-23(27(32)36-17-6-3-4-7-17)24(16-11-19(29(33)34)26(31)21(13-16)35-2)25-18(28-14)10-15(12-20(25)30)22-8-5-9-37-22/h5,8-9,11,13,15,17,24,28,31H,3-4,6-7,10,12H2,1-2H3/p-1/t15-,24+/m1/s1