ethyl 4-cyano-3-methyl-5-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C(=N2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=C(CCCC3)C(=N2)C)C#N)C

InChI

InChI=1S/C20H22N4O3S2/c1-4-27-19(26)17-11(2)14(9-21)18(29-17)24-16(25)10-28-20-22-12(3)13-7-5-6-8-15(13)23-20/h4-8,10H2,1-3H3,(H,24,25)