methyl 3-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[(3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-chloro-benzoate CAS Name: 3-[[(3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-chlorobenzoate Traditional Name: 3-[(3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-chloro-benzoic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl)N)C

InChI

InChI=1S/C18H16ClN3O3S/c1-8-6-9(2)21-17-13(8)14(20)15(26-17)16(23)22-12-7-10(18(24)25-3)4-5-11(12)19/h4-7H,20H2,1-3H3,(H,22,23)