2-[5-[(2-methoxy-5-methyl-4-sulfo-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate

Systemtic Name: 2-[5-[(2-methoxy-5-methyl-4-sulfo-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Openeye Name: 2-[5-[(2-methoxy-5-methyl-4-sulfo-phenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate CAS Name: 2-[5-[(2-methoxy-5-methyl-4-sulfoanilino)-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate IUPAC Name: 2-[5-[(2-methoxy-5-methyl-4-sulfophenyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate Traditional Name: 2-[5-[(2-methoxy-5-methyl-4-sulfo-phenyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate Formula: C23H24N3O10S2- MolecularWeight: 566.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C23H25N3O10S2/c1-13-7-17(19(35-2)10-20(13)38(32,33)34)24-22(28)18-8-15(9-21(27)37)11-25(18)23(29)36-12-14-3-5-16(6-4-14)26(30)31/h3-7,10,15,18H,8-9,11-12H2,1-2H3,(H,24,28)(H,27,37)(H,32,33,34)/p-1