N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC#C

InChI

InChI=1S/C22H22N2O3S2/c1-4-13-24-19-11-8-17(27-5-2)15-20(19)29-22(24)23-21(25)12-14-28-18-9-6-16(26-3)7-10-18/h1,6-11,15H,5,12-14H2,2-3H3