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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

InChI

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