5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-5-keto-valeric acid Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-10-9-23-16(19-13(20)7-4-8-14(21)22)15(10)17-18-11-5-2-3-6-12(11)24-17/h2-3,5-6,9H,4,7-8H2,1H3,(H,19,20)(H,21,22)