2-[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]thio]acetate Formula: C16H13N2O3S3- MolecularWeight: 377.48102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CSCC(=O)[O-]

Isomeric SMILES

CC1=CSC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CSCC(=O)[O-]

InChI

InChI=1S/C16H14N2O3S3/c1-9-6-23-15(18-12(19)7-22-8-13(20)21)14(9)16-17-10-4-2-3-5-11(10)24-16/h2-6H,7-8H2,1H3,(H,18,19)(H,20,21)/p-1