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

Systemtic Name: methyl 5-phenyl-2-(thiomorpholin-4-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(thiomorpholine-4-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene(thiomorpholin-4-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(thiomorpholine-4-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(thiomorpholine-4-carbothioylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O2S3 MolecularWeight: 378.53202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCSCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCSCC3

InChI

InChI=1S/C17H18N2O2S3/c1-21-16(20)13-11-14(12-5-3-2-4-6-12)24-15(13)18-17(22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H,18,22)