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

Systemtic Name: methyl (6R)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H20ClNO3S2 MolecularWeight: 433.9714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClNO3S2/c1-3-11-8-9-12-15(10-11)28-20(16(12)21(25)26-2)23-19(24)18-17(22)13-6-4-5-7-14(13)27-18/h4-7,11H,3,8-10H2,1-2H3,(H,23,24)/t11-/m1/s1