S-[(2S)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(2S)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(2S)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-3-[2-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-oxopropyl] ester IUPAC Name: S-[(2S)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)pyrrolidino]-3-keto-2-methyl-propyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCCC1C(=O)NCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)20(25)22-9-5-6-16(22)19(24)21-10-15-11-26-17-7-3-4-8-18(17)27-15/h3-4,7-8,13,15-16H,5-6,9-12H2,1-2H3,(H,21,24)/t13-,15?,16?/m1/s1