methyl 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(2-acetamido-1-oxopent-4-ynyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(2-acetamidopent-4-ynoylamino)-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC

Isomeric SMILES

CC(=O)NC(CC#C)C(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC

InChI

InChI=1S/C17H17N3O4S2/c1-4-5-13(18-10(2)21)16(23)19-11-6-7-12-14(8-11)26-17(20-12)25-9-15(22)24-3/h1,6-8,13H,5,9H2,2-3H3,(H,18,21)(H,19,23)