(3R)-3-methyl-1-oxidanylidene-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4H-isochromene-3-carboxamide

Systemtic Name: (3R)-3-methyl-1-oxidanylidene-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4H-isochromene-3-carboxamide Openeye Name: (3R)-N-allyl-3-methyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)isochromane-3-carboxamide CAS Name: (3R)-3-methyl-1-oxo-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-3-methyl-1-oxo-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4H-isochromene-3-carboxamide Traditional Name: (3R)-N-allyl-1-keto-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)isochroman-3-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H22N2O3S/c1-3-12-23(20-22-16-10-6-7-11-17(16)27-20)19(25)21(2)13-14-8-4-5-9-15(14)18(24)26-21/h3-5,8-9H,1,6-7,10-13H2,2H3/t21-/m1/s1