N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-methylsulfonyl-thiophene-2-carboxamide

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-methylsulfonyl-thiophene-2-carboxamide Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-methylsulfonyl-thiophene-2-carboxamide CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-methylsulfonyl-2-thiophenecarboxamide IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-methylsulfonylthiophene-2-carboxamide Traditional Name: 5-mesyl-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide Formula: C18H16N2O4S3 MolecularWeight: 420.52564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC=C(S4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C4=CC=C(S4)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O4S3/c1-24-11-4-5-12-10(9-11)3-6-13-16(12)19-18(26-13)20-17(21)14-7-8-15(25-14)27(2,22)23/h4-5,7-9H,3,6H2,1-2H3,(H,19,20,21)