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

Systemtic Name: 3-[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-3-(4-methoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-3-(4-methoxyphenyl)pyrazol-1-yl]propionate Formula: C17H15N4O4S- MolecularWeight: 371.3904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c1-25-12-4-2-10(3-5-12)15-11(8-13-16(24)19-17(18)26-13)9-21(20-15)7-6-14(22)23/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,18,19,24)/p-1