2-[(3-oxidanylidene-3-thiochromeno[4,3-c]pyrazol-3-yl-propanoyl)-phenyl-amino]ethanoic acid

Systemtic Name: 2-[(3-oxidanylidene-3-thiochromeno[4,3-c]pyrazol-3-yl-propanoyl)-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(3-oxo-3-thiochromeno[4,3-c]pyrazol-3-yl-propanoyl)anilino)acetic acid CAS Name: 2-(N-[1,3-dioxo-3-(3-thiochromeno[4,3-c]pyrazolyl)propyl]anilino)acetic acid IUPAC Name: 2-(N-(3-oxo-3-thiochromeno[4,3-c]pyrazol-3-ylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(3-keto-3-thiochromeno[4,3-c]pyrazol-3-yl-propanoyl)anilino)acetic acid Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(=O)O)C(=O)CC(=O)C2=NN=C3C2=CSC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)C(=O)CC(=O)C2=NN=C3C2=CSC4=CC=CC=C43

InChI

InChI=1S/C21H15N3O4S/c25-16(10-18(26)24(11-19(27)28)13-6-2-1-3-7-13)21-15-12-29-17-9-5-4-8-14(17)20(15)22-23-21/h1-9,12H,10-11H2,(H,27,28)