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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CC(OC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CC(OC(C3)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-11-17(10-16-8-6-5-7-9-16)28-19(18)22-21(27)23-12-14(2)26-15(3)13-23/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,22,27)