ethyl 3-methyl-5-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(quinazolin-4-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

InChI

InChI=1S/C18H17N3O3S2/c1-3-24-18(23)16-11(2)8-15(26-16)21-14(22)9-25-17-12-6-4-5-7-13(12)19-10-20-17/h4-8,10H,3,9H2,1-2H3,(H,21,22)