methyl 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(2-acetamido-4-methyl-1-oxopent-4-enyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-acetamido-4-methylpent-4-enoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(2-acetamido-4-methyl-pent-4-enoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-10(2)7-14(19-11(3)22)17(24)20-12-5-6-13-15(8-12)27-18(21-13)26-9-16(23)25-4/h5-6,8,14H,1,7,9H2,2-4H3,(H,19,22)(H,20,24)