(3S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-keto-isochroman-3-carboxamide Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N2O3S/c27-23(20-14-16-5-1-2-6-18(16)24(28)29-20)25-17-11-9-15(10-12-17)13-22-26-19-7-3-4-8-21(19)30-22/h1-12,20H,13-14H2,(H,25,27)/t20-/m0/s1