N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazolyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-yl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCCO5)NC1=O

InChI

InChI=1S/C21H17N3O4S2/c25-19-5-8-29-18-4-2-13(9-14(18)22-19)20(26)24-21-23-15(11-30-21)12-1-3-16-17(10-12)28-7-6-27-16/h1-4,9-11H,5-8H2,(H,22,25)(H,23,24,26)