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

Systemtic Name: methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanyl-ethanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanyl-acetyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-benzamido-2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzamido-2-ethoxycarbothioylsulfanylacetyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-benzamido-2-(ethoxycarbothioylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=S)SC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O5S2/c1-3-29-22(30)31-20(24-18(25)16-12-8-5-9-13-16)19(26)23-17(21(27)28-2)14-15-10-6-4-7-11-15/h4-13,17,20H,3,14H2,1-2H3,(H,23,26)(H,24,25)/t17-,20?/m0/s1