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

Systemtic Name: ethyl (E)-3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]acrylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O3S/c1-2-27-22(26)15-12-16-10-13-17(14-11-16)23-20(25)8-5-9-21-24-18-6-3-4-7-19(18)28-21/h3-4,6-7,10-15H,2,5,8-9H2,1H3,(H,23,25)/b15-12+