2-[[4-[(2-azanyl-5-thiophen-3-yl-phenyl)carbamoyl]phenyl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-5-thiophen-3-yl-phenyl)carbamoyl]phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[4-[[2-amino-5-(3-thienyl)phenyl]carbamoyl]-N-(carboxymethyl)anilino]acetic acid CAS Name: 2-[4-[[2-amino-5-(3-thiophenyl)anilino]-oxomethyl]-N-(carboxymethyl)anilino]acetic acid IUPAC Name: 2-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]-N-(carboxymethyl)anilino]acetic acid Traditional Name: 2-[4-[[2-amino-5-(3-thienyl)phenyl]carbamoyl]-N-(carboxymethyl)anilino]acetic acid Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C3=CSC=C3)N)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C3=CSC=C3)N)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C21H19N3O5S/c22-17-6-3-14(15-7-8-30-12-15)9-18(17)23-21(29)13-1-4-16(5-2-13)24(10-19(25)26)11-20(27)28/h1-9,12H,10-11,22H2,(H,23,29)(H,25,26)(H,27,28)