tert-butyl 2-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: tert-butyl 2-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C)NC=C3C=CC=C(C3=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2=C1CCN(C2)C)NC=C3C=CC=C(C3=O)OC

InChI

InChI=1S/C21H26N2O4S/c1-21(2,3)27-20(25)17-14-9-10-23(4)12-16(14)28-19(17)22-11-13-7-6-8-15(26-5)18(13)24/h6-8,11,22H,9-10,12H2,1-5H3