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

Systemtic Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(5-prop-2-enoxycarbonylthiophen-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[5-[(5-allyloxycarbonyl-2-thienyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[1-[(4-nitrophenyl)methoxy-oxomethyl]-5-[oxo-[[5-[oxo(prop-2-enoxy)methyl]-2-thiophenyl]amino]methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[1-[(4-nitrophenyl)methoxycarbonyl]-5-[(5-prop-2-enoxycarbonylthiophen-2-yl)carbamoyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[5-[(5-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=CC=C(S1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

Isomeric SMILES

C=CCOC(=O)C1=CC=C(S1)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)S

InChI

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