ethyl (4S)-4-methyl-2-(morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-(morpholin-4-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (4S)-4-methyl-2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (4S)-4-methyl-2-[[4-morpholinyl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (4S)-4-methyl-2-(morpholine-4-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H24N2O3S2 MolecularWeight: 368.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=S)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1[C@H](CCC2)C)NC(=S)N3CCOCC3

InChI

InChI=1S/C17H24N2O3S2/c1-3-22-16(20)14-13-11(2)5-4-6-12(13)24-15(14)18-17(23)19-7-9-21-10-8-19/h11H,3-10H2,1-2H3,(H,18,23)/t11-/m0/s1