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

Systemtic Name: methyl 4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate Openeye Name: methyl 4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate CAS Name: 4-[(2-benzo[e][1,3]benzothiazolylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoate Traditional Name: 4-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)benzoic acid methyl ester Formula: C20H14N2O3S MolecularWeight: 362.40176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C20H14N2O3S/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/h2-11H,1H3,(H,21,22,23)