ethyl 6-methyl-2-(3-phenylsulfanylpropanoylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-(3-phenylsulfanylpropanoylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate Openeye Name: ethyl 6-methyl-2-(3-phenylsulfanylpropanoylamino)thieno[2,3-d]thiazole-5-carboxylate CAS Name: 6-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-5-thieno[2,3-d]thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(3-phenylsulfanylpropanoylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate Traditional Name: 6-methyl-2-[3-(phenylthio)propanoylamino]thieno[2,3-d]thiazole-5-carboxylic acid ethyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)CCSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O3S3/c1-3-23-17(22)15-11(2)14-16(25-15)20-18(26-14)19-13(21)9-10-24-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,19,20,21)