[4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate

Systemtic Name: [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate Openeye Name: [4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate CAS Name: 1-methyl-3-pyrazolecarboxylic acid [4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl] 1-methylpyrazole-3-carboxylate Traditional Name: 1-methylpyrazole-3-carboxylic acid [4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CN1C=CC(=N1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H18N4O3S/c1-25-11-10-17(24-25)21(27)28-14-8-6-13(7-9-14)19(26)23-20-16(12-22)15-4-2-3-5-18(15)29-20/h6-11H,2-5H2,1H3,(H,23,26)