methyl 3-(2-ethoxyethyl)-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-thiophen-2-ylcarbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(2-thenoylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CS3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O4S2/c1-3-24-9-8-20-13-7-6-12(17(22)23-2)11-15(13)26-18(20)19-16(21)14-5-4-10-25-14/h4-7,10-11H,3,8-9H2,1-2H3