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2-[5-[(3-carboxynaphthalen-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate

2-[5-[(3-carboxynaphthalen-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate

Systemtic Name:2-[5-[(3-carboxynaphthalen-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate
Openeye Name:2-[5-[(3-carboxy-2-naphthyl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate
CAS Name:2-[5-[[(3-carboxy-2-naphthalenyl)amino]-oxomethyl]-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]ethanethioate
IUPAC Name:2-[5-[(3-carboxynaphthalen-2-yl)carbamoyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]ethanethioate
Traditional Name:2-[5-[(3-carboxy-2-naphthyl)carbamoyl]-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thioacetate
Formula: C26H22N3O8S-
MolecularWeight: 536.53318
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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=S)[O-]


Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CC(=S)[O-]


InChI

InChI=1S/C26H23N3O8S/c30-23(38)10-16-9-22(28(13-16)26(34)37-14-15-5-7-19(8-6-15)29(35)36)24(31)27-21-12-18-4-2-1-3-17(18)11-20(21)25(32)33/h1-8,11-12,16,22H,9-10,13-14H2,(H,27,31)(H,30,38)(H,32,33)/p-1


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