[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-acetamido-4-methylsulfanyl-butanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] (2R)-2-acetamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-acetamido-4-(methylthio)butanoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-acetamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-acetamido-4-(methylthio)butyric acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

CC(=O)N[C@H](CCSC)C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C18H23N3O4S2/c1-11(22)20-14(7-8-26-2)18(24)25-10-16(23)21-17-13(9-19)12-5-3-4-6-15(12)27-17/h14H,3-8,10H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1