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

Systemtic Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-5-keto-3,3-dimethyl-valerate Formula: C19H19N2O3S2- MolecularWeight: 387.49576

Click to see the large picture

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)/p-1