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

Systemtic Name: ethyl 2-(4-ethoxyphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-ethoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-ethoxyphenyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ethoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C20H20N2O4S/c1-4-25-15-9-6-13(7-10-15)18(23)21-20-22(3)16-11-8-14(12-17(16)27-20)19(24)26-5-2/h6-12H,4-5H2,1-3H3