[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 3-methoxybenzoate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 3-methoxybenzoate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromo-6-ethoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromo-6-ethoxyphenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C20H17BrN2O5S MolecularWeight: 477.32838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H17BrN2O5S/c1-3-27-15-8-11(9-16-18(24)23-20(22)29-16)7-14(21)17(15)28-19(25)12-5-4-6-13(10-12)26-2/h4-10H,3H2,1-2H3,(H2,22,23,24)