ethyl (5S)-2-[(4-methoxyphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl (5S)-2-[(4-methoxyphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl (5S)-5-isopropyl-2-[(4-methoxyphenyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate CAS Name: (5S)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-2-[(4-methoxyphenyl)carbamothioylamino]-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate Traditional Name: (5S)-5-isopropyl-2-[(4-methoxyphenyl)thiocarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)C(C)C)NC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C[C@H](OC2)C(C)C)NC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-5-26-20(24)18-15-10-16(12(2)3)27-11-17(15)29-19(18)23-21(28)22-13-6-8-14(25-4)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3,(H2,22,23,28)/t16-/m0/s1