(3S)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(3-chlorobenzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-chloro-1-benzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-chlorobenzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H15ClN2O2S MolecularWeight: 370.8526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)N

InChI

InChI=1S/C19H15ClN2O2S/c20-16-13-7-3-4-8-15(13)25-17(16)19(24)22-10-12-6-2-1-5-11(12)9-14(22)18(21)23/h1-8,14H,9-10H2,(H2,21,23)/t14-/m0/s1