methyl 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate Openeye Name: methyl 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate CAS Name: 4-[(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate Traditional Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoic acid methyl ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43

InChI

InChI=1S/C20H16N2O3S/c1-25-19(24)14-8-6-13(7-9-14)18(23)22-20-21-17-15-5-3-2-4-12(15)10-11-16(17)26-20/h2-9H,10-11H2,1H3,(H,21,22,23)