[(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [(1S)-2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-phenyl-ethyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)OC(=O)C4=CN=C(C=N4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H](C3=CC=CC=C3)OC(=O)C4=CN=C(C=N4)C

InChI

InChI=1S/C25H25N3O5S/c1-3-32-25(31)20-17-11-7-8-12-19(17)34-23(20)28-22(29)21(16-9-5-4-6-10-16)33-24(30)18-14-26-15(2)13-27-18/h4-6,9-10,13-14,21H,3,7-8,11-12H2,1-2H3,(H,28,29)/t21-/m0/s1