[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C(=CC=C3)C)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C(=CC=C3)C)O

InChI

InChI=1S/C20H20N2O4S/c1-11-6-7-13-15(9-21)19(27-16(13)8-11)22-17(23)10-26-20(25)14-5-3-4-12(2)18(14)24/h3-5,11,24H,6-8,10H2,1-2H3,(H,22,23)