ethyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-phenyl-pentanoate

Systemtic Name: ethyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-phenyl-pentanoate Openeye Name: ethyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-phenyl-pentanoate CAS Name: 3-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-4-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-phenylpentanoate Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-phenyl-valeric acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)C1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CC(C(C)C1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC

InChI

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