ethyl 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-methyl-2-phenyl-thiazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=C(S3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N=C(S3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H22N2O3S2/c1-3-27-22(26)17-15-11-7-8-12-16(15)28-21(17)24-19(25)18-13(2)23-20(29-18)14-9-5-4-6-10-14/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,24,25)