methyl 2-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-5-methoxy-1-benzothiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-chloro-5-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chloro-5-methoxy-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC)Cl

InChI

InChI=1S/C21H20ClNO4S2/c1-10-4-6-12-15(8-10)29-20(16(12)21(25)27-3)23-19(24)18-17(22)13-9-11(26-2)5-7-14(13)28-18/h5,7,9-10H,4,6,8H2,1-3H3,(H,23,24)