3-[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-3-(3,4-dimethoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propionate Formula: C18H17N4O5S- MolecularWeight: 401.41638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N)CCC(=O)[O-])OC

InChI

InChI=1S/C18H18N4O5S/c1-26-12-4-3-10(7-13(12)27-2)16-11(8-14-17(25)20-18(19)28-14)9-22(21-16)6-5-15(23)24/h3-4,7-9H,5-6H2,1-2H3,(H,23,24)(H2,19,20,25)/p-1