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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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