O2-ethyl O4-methyl 5-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-amino-6-propan-2-yl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C(C)C)N)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C(C)C)N)C(=O)OC)C

InChI

InChI=1S/C21H23N3O5S2/c1-6-29-21(27)15-10(4)13(20(26)28-5)19(30-15)24-17(25)16-14(22)11-7-8-12(9(2)3)23-18(11)31-16/h7-9H,6,22H2,1-5H3,(H,24,25)