2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(6-prop-2-enoxy-3-prop-2-enoxycarbonyl-quinolin-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(6-prop-2-enoxy-3-prop-2-enoxycarbonyl-quinolin-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[5-[(6-allyloxy-3-allyloxycarbonyl-2-quinolyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[1-[(4-nitrophenyl)methoxy-oxomethyl]-5-[oxo-[[3-[oxo(prop-2-enoxy)methyl]-6-prop-2-enoxy-2-quinolinyl]amino]methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(6-prop-2-enoxy-3-prop-2-enoxycarbonylquinolin-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[5-[(6-allyloxy-3-allyloxycarbonyl-2-quinolyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetic acid Formula: C31H30N4O9S MolecularWeight: 634.6563

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC2=CC(=C(N=C2C=C1)NC(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S)C(=O)OCC=C

Isomeric SMILES

C=CCOC1=CC2=CC(=C(N=C2C=C1)NC(=O)C3CC(CN3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)S)C(=O)OCC=C

InChI

InChI=1S/C31H30N4O9S/c1-3-11-42-23-9-10-25-21(15-23)16-24(30(38)43-12-4-2)28(32-25)33-29(37)26-13-20(14-27(36)45)17-34(26)31(39)44-18-19-5-7-22(8-6-19)35(40)41/h3-10,15-16,20,26H,1-2,11-14,17-18H2,(H,36,45)(H,32,33,37)