ethyl 2-[(4-cyanophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-cyanophenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-cyanobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyanobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-cyanobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O3S/c1-2-24-17(23)13-7-8-14-15(9-13)25-18(20-14)21-16(22)12-5-3-11(10-19)4-6-12/h3-9H,2H2,1H3,(H,20,21,22)