methyl 3-azanyl-4-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoate

Systemtic Name: methyl 3-azanyl-4-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoate Openeye Name: methyl 3-amino-4-[3-(6-morpholino-4-oxo-thiopyran-2-yl)phenyl]benzoate CAS Name: 3-amino-4-[3-[6-(4-morpholinyl)-4-oxo-2-thiopyranyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-(6-morpholin-4-yl-4-oxothiopyran-2-yl)phenyl]benzoate Traditional Name: 3-amino-4-[3-(4-keto-6-morpholino-thiopyran-2-yl)phenyl]benzoic acid methyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)C3=CC(=O)C=C(S3)N4CCOCC4)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)C3=CC(=O)C=C(S3)N4CCOCC4)N

InChI

InChI=1S/C23H22N2O4S/c1-28-23(27)17-5-6-19(20(24)12-17)15-3-2-4-16(11-15)21-13-18(26)14-22(30-21)25-7-9-29-10-8-25/h2-6,11-14H,7-10,24H2,1H3