[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NC3CCOC4=CC=CC=C34)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NC3CCOC4=CC=CC=C34)N)C

InChI

InChI=1S/C21H21N3O4S/c1-11-9-12(2)23-20-17(11)18(22)19(29-20)21(26)28-10-16(25)24-14-7-8-27-15-6-4-3-5-13(14)15/h3-6,9,14H,7-8,10,22H2,1-2H3,(H,24,25)