ethyl 2-[(2-chloranylquinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranylquinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloroquinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-chloro-4-quinazolinyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloroquinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloroquinazolin-4-yl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC3=NC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC3=NC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-3-26-19(25)16-13-9-8-11(2)10-15(13)27-18(16)23-17-12-6-4-5-7-14(12)22-20(21)24-17/h4-7,11H,3,8-10H2,1-2H3,(H,22,23,24)