dimethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-morpholinosulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23N3O7S3 MolecularWeight: 513.60752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C20H23N3O7S3/c1-12-15(18(24)28-2)17(32-16(12)19(25)29-3)22-20(31)21-13-4-6-14(7-5-13)33(26,27)23-8-10-30-11-9-23/h4-7H,8-11H2,1-3H3,(H2,21,22,31)