3-[1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-13-4-5-14(11-16(13)21)22-19(24)12-23-15(7-9-20(25)26)6-8-17(23)18-3-2-10-27-18/h2-6,8,10-11H,7,9,12H2,1H3,(H,22,24)(H,25,26)