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

Systemtic Name: methyl 2-(4-methoxycarbonylphenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-methoxycarbonylbenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-methoxycarbonylphenyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methoxycarbonylbenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-carbomethoxybenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O6S/c1-27-11-10-23-16-9-8-15(20(26)29-3)12-17(16)30-21(23)22-18(24)13-4-6-14(7-5-13)19(25)28-2/h4-9,12H,10-11H2,1-3H3