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

Systemtic Name: methyl 2-[(5-chloranyl-3,6-dimethyl-1-benzofuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-3,6-dimethyl-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-chloro-3,6-dimethyl-2-benzofuranyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-chloro-3,6-dimethyl-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C(OC2=C1)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C)Cl

InChI

InChI=1S/C21H20ClNO4S/c1-10-8-15-13(9-14(10)22)11(2)18(27-15)19(24)23-20-17(21(25)26-3)12-6-4-5-7-16(12)28-20/h8-9H,4-7H2,1-3H3,(H,23,24)