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

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid Openeye Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid CAS Name: 2-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-4-methylbenzoic acid IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-methylbenzoic acid Traditional Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-methyl-benzoic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H16N2O3S/c1-10-6-7-12(18(22)23)13(8-10)16(21)20-17-14(9-19)11-4-2-3-5-15(11)24-17/h6-8H,2-5H2,1H3,(H,20,21)(H,22,23)