2-[2-[(2-butoxynaphthalen-1-yl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[(2-butoxynaphthalen-1-yl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(2-butoxy-1-naphthyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(2-butoxy-1-naphthalenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(2-butoxynaphthalen-1-yl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(2-butoxy-1-naphthyl)methylamino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C22H23N2O4S- MolecularWeight: 411.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CC3=NC(=C(S3)C(=O)[O-])C

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)CNC(=O)CC3=NC(=C(S3)C(=O)[O-])C

InChI

InChI=1S/C22H24N2O4S/c1-3-4-11-28-18-10-9-15-7-5-6-8-16(15)17(18)13-23-19(25)12-20-24-14(2)21(29-20)22(26)27/h5-10H,3-4,11-13H2,1-2H3,(H,23,25)(H,26,27)/p-1