ethyl 2-[(2,6-dimethylmorpholin-4-yl)carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2,6-dimethylmorpholin-4-yl)carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,6-dimethylmorpholine-4-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,6-dimethyl-4-morpholinyl)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,6-dimethylmorpholine-4-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,6-dimethylmorpholine-4-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CC(OC(C3)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-5-25-20(24)18-17(16-9-7-6-8-10-16)15(4)28-19(18)22-21(27)23-11-13(2)26-14(3)12-23/h6-10,13-14H,5,11-12H2,1-4H3,(H,22,27)