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

Systemtic Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-5-keto-3,3-dimethyl-valeric acid Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S2/c1-11-10-25-17(21-14(22)8-19(2,3)9-15(23)24)16(11)18-20-12-6-4-5-7-13(12)26-18/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24)