methyl 3-ethyl-2-(4-methoxycarbonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-(4-methoxycarbonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(4-methoxycarbonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(4-methoxycarbonylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(4-methoxycarbonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-carbomethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O5S/c1-4-22-15-10-9-14(19(25)27-3)11-16(15)28-20(22)21-17(23)12-5-7-13(8-6-12)18(24)26-2/h5-11H,4H2,1-3H3