N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=NC(=CS3)CC(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=NC(=CS3)CC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4S/c22-18(25)10-15-11-29-21(23-15)24-19(26)13-6-7-16-14(8-13)9-17(28-20(16)27)12-4-2-1-3-5-12/h1-8,11,17H,9-10H2,(H2,22,25)(H,23,24,26)