dimethyl 5-azanyl-3-[(2-methylphenyl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-methylphenyl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(o-tolylmethylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2-methylphenyl)methylthio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-methylphenyl)methylsulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(2-methylbenzyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H19NO4S2 MolecularWeight: 365.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CSCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C17H19NO4S2/c1-10-6-4-5-7-11(10)8-23-9-12-13(16(19)21-2)15(18)24-14(12)17(20)22-3/h4-7H,8-9,18H2,1-3H3