methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(3-chlorobenzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-chloro-1-benzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(3-chlorobenzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C20H16ClNO3S MolecularWeight: 385.86394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H16ClNO3S/c1-25-20(24)14-7-4-5-12-11-22(10-9-13(12)14)19(23)18-17(21)15-6-2-3-8-16(15)26-18/h2-8H,9-11H2,1H3