N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-27-15-7-8-16-13(11-15)4-9-17-19(16)22-20(28-17)21-18(24)10-12-2-5-14(6-3-12)23(25)26/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,22,24)