N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C18H15N3O3S2/c1-24-11-3-4-12-15(9-11)26-18(20-12)21-17(23)10-2-5-14-13(8-10)19-16(22)6-7-25-14/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,21,23)