(3S)-2-ethylsulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C20H21N3O3S2/c1-3-28(25,26)23-13-15-9-5-4-8-14(15)12-17(23)19(24)21-20-22(2)16-10-6-7-11-18(16)27-20/h4-11,17H,3,12-13H2,1-2H3/t17-/m0/s1