methyl 4-[(3-hydroxyphenyl)methylamino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[(3-hydroxyphenyl)methylamino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[(3-hydroxyphenyl)methylamino]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[(3-hydroxyphenyl)methylamino]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-hydroxyphenyl)methylamino]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[(3-hydroxybenzyl)amino]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C14H15NO3S2 MolecularWeight: 309.4038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)SC)NCC2=CC(=CC=C2)O

Isomeric SMILES

COC(=O)C1=CC(=C(S1)SC)NCC2=CC(=CC=C2)O

InChI

InChI=1S/C14H15NO3S2/c1-18-13(17)12-7-11(14(19-2)20-12)15-8-9-4-3-5-10(16)6-9/h3-7,15-16H,8H2,1-2H3