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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[(4-methoxyphenyl)thio]butyramide Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CC#C

InChI

InChI=1S/C23H24N2O3S2/c1-4-14-25-20-13-10-18(28-5-2)16-21(20)30-23(25)24-22(26)7-6-15-29-19-11-8-17(27-3)9-12-19/h1,8-13,16H,5-7,14-15H2,2-3H3