2-[[3-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-methoxycarbonyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-methoxycarbonyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-methoxycarbonyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-methoxycarbonylamino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: 2-[carbomethoxy-[3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]amino]-4-methyl-valeric acid Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H22ClN3O5S/c1-10(2)8-13(16(24)25)22(18(26)27-3)7-6-15(23)21-17-20-12-5-4-11(19)9-14(12)28-17/h4-5,9-10,13H,6-8H2,1-3H3,(H,24,25)(H,20,21,23)