methyl 3-(2-methylsulfanylethyl)-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-amoxybenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H28N2O4S2 MolecularWeight: 472.62012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C24H28N2O4S2/c1-4-5-6-13-30-19-9-7-8-17(15-19)22(27)25-24-26(12-14-31-3)20-11-10-18(23(28)29-2)16-21(20)32-24/h7-11,15-16H,4-6,12-14H2,1-3H3