methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CS3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CCSC

InChI

InChI=1S/C19H18N2O3S3/c1-24-18(23)13-5-7-15-16(12-13)27-19(21(15)9-11-25-2)20-17(22)8-6-14-4-3-10-26-14/h3-8,10,12H,9,11H2,1-2H3/b8-6+,20-19?