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

Systemtic Name: methyl (6S)-2-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[(5-chloro-2-methoxy-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[(5-chloro-2-methoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(5-chloro-2-methoxy-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H20ClNO4S/c1-10-4-6-12-15(8-10)26-18(16(12)19(23)25-3)21-17(22)13-9-11(20)5-7-14(13)24-2/h5,7,9-10H,4,6,8H2,1-3H3,(H,21,22)/t10-/m0/s1