methyl 5-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-isopropoxycarbonylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-propan-2-yloxycarbonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-isopropoxycarbonylphenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C)C(=O)OC

InChI

InChI=1S/C18H20N2O4S2/c1-10(2)24-16(21)12-5-7-13(8-6-12)19-18(25)20-15-14(17(22)23-4)9-11(3)26-15/h5-10H,1-4H3,(H2,19,20,25)