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

Systemtic Name: ethyl 2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22ClNO3S2 MolecularWeight: 447.99798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl

InChI

InChI=1S/C22H22ClNO3S2/c1-4-27-22(26)17-13-7-5-11(2)9-15(13)29-21(17)24-20(25)19-18(23)14-8-6-12(3)10-16(14)28-19/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,24,25)