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

Systemtic Name: methyl 2-(morpholin-4-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(morpholine-4-carbothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-morpholinyl(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(morpholine-4-carbothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(morpholine-4-carbothioylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCOCC3

InChI

InChI=1S/C17H18N2O3S2/c1-21-16(20)13-11-14(12-5-3-2-4-6-12)24-15(13)18-17(23)19-7-9-22-10-8-19/h2-6,11H,7-10H2,1H3,(H,18,23)