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

Systemtic Name: 2-[carboxy-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]amino]-4-methyl-valeric acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN(C(CC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN(C(CC(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C19H25N3O6S/c1-4-28-12-5-6-13-15(10-12)29-18(20-13)21-16(23)7-8-22(19(26)27)14(17(24)25)9-11(2)3/h5-6,10-11,14H,4,7-9H2,1-3H3,(H,24,25)(H,26,27)(H,20,21,23)