2-[[2-[(3-methylphenyl)carbamoylamino]-3-oxidanylidene-3-thiophen-2-yl-propanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-methylphenyl)carbamoylamino]-3-oxidanylidene-3-thiophen-2-yl-propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-(m-tolylcarbamoylamino)-3-oxo-3-(2-thienyl)propanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[[(3-methylanilino)-oxomethyl]amino]-1,3-dioxo-3-thiophen-2-ylpropyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(3-methylphenyl)carbamoylamino]-3-oxo-3-thiophen-2-ylpropanoyl]anilino)acetic acid Traditional Name: 2-(N-[3-keto-2-(m-tolylcarbamoylamino)-3-(2-thienyl)propanoyl]anilino)acetic acid Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C(=O)C2=CC=CS2)C(=O)N(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(C(=O)C2=CC=CS2)C(=O)N(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5S/c1-15-7-5-8-16(13-15)24-23(31)25-20(21(29)18-11-6-12-32-18)22(30)26(14-19(27)28)17-9-3-2-4-10-17/h2-13,20H,14H2,1H3,(H,27,28)(H2,24,25,31)