[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenyl] benzoate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-iodanyl-6-methoxy-phenyl] benzoate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-iodo-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-iodo-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-iodo-6-methoxy-phenyl] ester Formula: C18H13IN2O4S MolecularWeight: 480.27629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)I)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13IN2O4S/c1-24-13-8-10(9-14-16(22)21-18(20)26-14)7-12(19)15(13)25-17(23)11-5-3-2-4-6-11/h2-9H,1H3,(H2,20,21,22)