S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[(2S)-2-(ethylcarbamoyl)pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCCN1C(=O)C(C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@@H]1CCCN1C(=O)C(C)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O3S/c1-3-19-16(21)15-10-7-11-20(15)17(22)13(2)12-24-18(23)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,19,21)/t13?,15-/m0/s1