(3S)-2-ethanoyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethanoyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C20H19N3O3S/c1-12(24)23-11-14-6-4-3-5-13(14)9-17(23)19(25)22-20-21-16-8-7-15(26-2)10-18(16)27-20/h3-8,10,17H,9,11H2,1-2H3,(H,21,22,25)/t17-/m0/s1