(3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-oxo-4-[(4-phenylthiazol-2-yl)amino]butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-oxo-4-[(4-phenyl-2-thiazolyl)amino]butanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-[(4-phenylthiazol-2-yl)amino]butyrate Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(CC(=O)[O-])[NH2+]CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC3=CC=CO3

InChI

InChI=1S/C18H17N3O4S/c22-16(23)9-14(19-10-13-7-4-8-25-13)17(24)21-18-20-15(11-26-18)12-5-2-1-3-6-12/h1-8,11,14,19H,9-10H2,(H,22,23)(H,20,21,24)/t14-/m0/s1