methyl 4-[[5-(3-thiophen-2-ylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(3-thiophen-2-ylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[3-(2-thienyl)prop-2-enoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-thiophen-2-ylprop-2-enoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[3-(2-thienyl)acryloyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H15N3O3S3 MolecularWeight: 417.525

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C=CC3=CC=CS3

InChI

InChI=1S/C18H15N3O3S3/c1-24-16(23)13-6-4-12(5-7-13)11-26-18-21-20-17(27-18)19-15(22)9-8-14-3-2-10-25-14/h2-10H,11H2,1H3,(H,19,20,22)