ethyl 2-azanyl-5-(methylcarbamoyl)-4-(quinazolin-4-ylsulfanylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-(quinazolin-4-ylsulfanylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-(quinazolin-4-ylsulfanylmethyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[(4-quinazolinylthio)methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-(quinazolin-4-ylsulfanylmethyl)thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[(quinazolin-4-ylthio)methyl]thiophene-3-carboxylic acid ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=CC=CC=C32)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=CC=CC=C32)C(=O)NC)N

InChI

InChI=1S/C18H18N4O3S2/c1-3-25-18(24)13-11(14(16(23)20-2)27-15(13)19)8-26-17-10-6-4-5-7-12(10)21-9-22-17/h4-7,9H,3,8,19H2,1-2H3,(H,20,23)