dimethyl 5-azanyl-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-quinazolinylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(quinazolin-4-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-23-16(21)12-10(13(17(22)24-2)26-14(12)18)7-25-15-9-5-3-4-6-11(9)19-8-20-15/h3-6,8H,7,18H2,1-2H3