methyl 4-[(3-azanyl-7-methyl-thieno[2,3-b]quinolin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-azanyl-7-methyl-thieno[2,3-b]quinolin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-amino-7-methyl-thieno[2,3-b]quinoline-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-amino-7-methyl-2-thieno[2,3-b]quinolinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-7-methylthieno[2,3-b]quinoline-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-amino-7-methyl-thieno[2,3-b]quinoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)OC)N

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)OC)N

InChI

InChI=1S/C21H17N3O3S/c1-11-3-4-13-10-15-17(22)18(28-20(15)24-16(13)9-11)19(25)23-14-7-5-12(6-8-14)21(26)27-2/h3-10H,22H2,1-2H3,(H,23,25)