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

Systemtic Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate Openeye Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C19H18N2O4S/c1-11-5-6-14-15(9-20)18(26-16(14)7-11)21-17(23)10-25-19(24)12-3-2-4-13(22)8-12/h2-4,8,11,22H,5-7,10H2,1H3,(H,21,23)/t11-/m0/s1