1,3-thiazol-4-yl 3-[(4-methoxyphenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate hydrobromide

Systemtic Name: 1,3-thiazol-4-yl 3-[(4-methoxyphenyl)amino]-5-methylsulfanyl-thiophene-2-carboxylate hydrobromide Openeye Name: thiazol-4-yl 3-(4-methoxyanilino)-5-methylsulfanyl-thiophene-2-carboxylate hydrobromide CAS Name: 3-(4-methoxyanilino)-5-(methylthio)-2-thiophenecarboxylic acid 4-thiazolyl ester hydrobromide IUPAC Name: 1,3-thiazol-4-yl 3-(4-methoxyanilino)-5-methylsulfanylthiophene-2-carboxylate hydrobromide Traditional Name: 5-(methylthio)-3-(p-anisidino)thiophene-2-carboxylic acid thiazol-4-yl ester hydrobromide Formula: C16H15BrN2O3S3 MolecularWeight: 459.4009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(SC(=C2)SC)C(=O)OC3=CSC=N3.Br

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(SC(=C2)SC)C(=O)OC3=CSC=N3.Br

InChI

InChI=1S/C16H14N2O3S3.BrH/c1-20-11-5-3-10(4-6-11)18-12-7-14(22-2)24-15(12)16(19)21-13-8-23-9-17-13;/h3-9,18H,1-2H3;1H