ethyl 2-[(2-chloranyl-2-phenyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-2-phenyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-2-phenyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-chloro-1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-2-phenyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-2-24-19(23)15-13-10-6-7-11-14(13)25-18(15)21-17(22)16(20)12-8-4-3-5-9-12/h3-5,8-9,16H,2,6-7,10-11H2,1H3,(H,21,22)