2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid

Systemtic Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid Openeye Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid CAS Name: 2-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-4-methylbenzoic acid IUPAC Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-methylbenzoic acid Traditional Name: 2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-10-4-6-13(19(23)24)14(7-10)17(22)21-18-15(9-20)12-5-3-11(2)8-16(12)25-18/h4,6-7,11H,3,5,8H2,1-2H3,(H,21,22)(H,23,24)