methyl 4-[1-(3-hydroxyphenyl)propan-2-ylamino]-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-[1-(3-hydroxyphenyl)propan-2-ylamino]-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[[2-(3-hydroxyphenyl)-1-methyl-ethyl]amino]-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 4-[1-(3-hydroxyphenyl)propan-2-ylamino]-5-(methylthio)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-(3-hydroxyphenyl)propan-2-ylamino]-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 4-[[2-(3-hydroxyphenyl)-1-methyl-ethyl]amino]-5-(methylthio)thiophene-2-carboxylic acid methyl ester Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)O)NC2=C(SC(=C2)C(=O)OC)SC

Isomeric SMILES

CC(CC1=CC(=CC=C1)O)NC2=C(SC(=C2)C(=O)OC)SC

InChI

InChI=1S/C16H19NO3S2/c1-10(7-11-5-4-6-12(18)8-11)17-13-9-14(15(19)20-2)22-16(13)21-3/h4-6,8-10,17-18H,7H2,1-3H3