methyl 5-methyl-4-phenyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2S2/c1-12-14(13-8-4-3-5-9-13)15(17(21)22-2)16(24-12)19-18(23)20-10-6-7-11-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,23)