methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanyl-ethanoyl)amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanyl-ethanoyl)amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanyl-acetyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-benzamido-2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanylacetyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-benzamido-2-(ethoxycarbothioylthio)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=S)SC(C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H24N2O5S2/c1-5-25-18(26)27-16(20-14(21)12-9-7-6-8-10-12)15(22)19-13(11(2)3)17(23)24-4/h6-11,13,16H,5H2,1-4H3,(H,19,22)(H,20,21)/t13-,16?/m0/s1