methyl 4-[2-[[3-(hydroxymethyl)phenyl]amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[2-[[3-(hydroxymethyl)phenyl]amino]-1,3-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[2-[3-(hydroxymethyl)anilino]thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[2-[3-(hydroxymethyl)anilino]-4-thiazolyl]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-[3-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[2-(3-methylolanilino)thiazol-4-yl]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=CC(=C3)CO

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)C2=CSC(=N2)NC3=CC=CC(=C3)CO

InChI

InChI=1S/C17H16N2O3S3/c1-22-15(21)14-7-12(16(23-2)25-14)13-9-24-17(19-13)18-11-5-3-4-10(6-11)8-20/h3-7,9,20H,8H2,1-2H3,(H,18,19)