[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: 3-(1,3-benzothiazol-2-yl)acrylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H22N2O4S/c1-15(2)13-21(27)24-17-9-7-16(8-10-17)19(26)14-29-23(28)12-11-22-25-18-5-3-4-6-20(18)30-22/h3-12,15H,13-14H2,1-2H3,(H,24,27)