4-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H14N2O3S2/c1-9-8-22-15(18-12(19)6-7-13(20)21)14(9)16-17-10-4-2-3-5-11(10)23-16/h2-5,8H,6-7H2,1H3,(H,18,19)(H,20,21)