2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(4-prop-2-enoxycarbonylthiophen-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(4-prop-2-enoxycarbonylthiophen-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[5-[(4-allyloxycarbonyl-2-thienyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[1-[(4-nitrophenyl)methoxy-oxomethyl]-5-[oxo-[[4-[oxo(prop-2-enoxy)methyl]-2-thiophenyl]amino]methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(4-prop-2-enoxycarbonylthiophen-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[5-[(4-allyloxycarbonyl-2-thienyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetic acid Formula: C23H23N3O8S2 MolecularWeight: 533.57402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=CSC(=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=CSC(=C1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

InChI

InChI=1S/C23H23N3O8S2/c1-2-7-33-22(29)16-10-19(36-13-16)24-21(28)18-8-15(9-20(27)35)11-25(18)23(30)34-12-14-3-5-17(6-4-14)26(31)32/h2-6,10,13,15,18H,1,7-9,11-12H2,(H,24,28)(H,27,35)