ethyl 3-(7-imidazol-1-ylheptanoyl)-2-[(4-prop-2-enoxyphenyl)sulfanylmethyl]-1,2-thiazinane-4-carboxylate

Systemtic Name: ethyl 3-(7-imidazol-1-ylheptanoyl)-2-[(4-prop-2-enoxyphenyl)sulfanylmethyl]-1,2-thiazinane-4-carboxylate Openeye Name: ethyl 2-[(4-allyloxyphenyl)sulfanylmethyl]-3-(7-imidazol-1-ylheptanoyl)thiazinane-4-carboxylate CAS Name: 3-[7-(1-imidazolyl)-1-oxoheptyl]-2-[[(4-prop-2-enoxyphenyl)thio]methyl]-4-thiazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(7-imidazol-1-ylheptanoyl)-2-[(4-prop-2-enoxyphenyl)sulfanylmethyl]thiazinane-4-carboxylate Traditional Name: 2-[[(4-allyloxyphenyl)thio]methyl]-3-(7-imidazol-1-ylheptanoyl)thiazinane-4-carboxylic acid ethyl ester Formula: C27H37N3O4S2 MolecularWeight: 531.73038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCSN(C1C(=O)CCCCCCN2C=CN=C2)CSC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCOC(=O)C1CCSN(C1C(=O)CCCCCCN2C=CN=C2)CSC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C27H37N3O4S2/c1-3-18-34-22-10-12-23(13-11-22)35-21-30-26(24(14-19-36-30)27(32)33-4-2)25(31)9-7-5-6-8-16-29-17-15-28-20-29/h3,10-13,15,17,20,24,26H,1,4-9,14,16,18-19,21H2,2H3