ethyl 2-[2-(4-methoxyphenyl)sulfanylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-methoxyphenyl)sulfanylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-methoxyphenyl)sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[(4-methoxyphenyl)thio]-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methoxyphenyl)sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(4-methoxyphenyl)thio]acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSC3=CC=C(C=C3)OC)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSC3=CC=C(C=C3)OC)S2)C

InChI

InChI=1S/C20H20N2O4S2/c1-4-26-19(24)13-5-10-16-17(11-13)28-20(22(16)2)21-18(23)12-27-15-8-6-14(25-3)7-9-15/h5-11H,4,12H2,1-3H3