methyl 2-(4-cyanophenyl)carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-cyanobenzoyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-cyanophenyl)-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanobenzoyl)imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-cyanobenzoyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15N3O5S/c1-27-17(24)11-23-15-8-7-14(19(26)28-2)9-16(15)29-20(23)22-18(25)13-5-3-12(10-21)4-6-13/h3-9H,11H2,1-2H3