2-(1,3-benzothiazol-2-ylamino)-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-(4-ethoxy-4-oxidanylidene-butoxy)phenyl]propanoate Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-(4-ethoxy-4-oxo-butoxy)phenyl]propanoate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-(4-ethoxy-4-oxobutoxy)phenyl]propanoate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-3-[4-(4-ethoxy-4-keto-butoxy)phenyl]propionate Formula: C22H23N2O5S- MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O5S/c1-2-28-20(25)8-5-13-29-16-11-9-15(10-12-16)14-18(21(26)27)24-22-23-17-6-3-4-7-19(17)30-22/h3-4,6-7,9-12,18H,2,5,8,13-14H2,1H3,(H,23,24)(H,26,27)/p-1