2-(2-hexoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-(2-hexoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-(2-hexoxy-1-naphthyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(2-hexoxy-1-naphthalenyl)-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-(2-hexoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(2-hexoxy-1-naphthyl)-4-methyl-thiazole-5-carboxylate Formula: C21H22NO3S- MolecularWeight: 368.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC(=C(S3)C(=O)[O-])C

Isomeric SMILES

CCCCCCOC1=C(C2=CC=CC=C2C=C1)C3=NC(=C(S3)C(=O)[O-])C

InChI

InChI=1S/C21H23NO3S/c1-3-4-5-8-13-25-17-12-11-15-9-6-7-10-16(15)18(17)20-22-14(2)19(26-20)21(23)24/h6-7,9-12H,3-5,8,13H2,1-2H3,(H,23,24)/p-1