S-(phenylmethyl) (Z)-3-(butylamino)-4-methyl-pent-2-enethioate

Systemtic Name: S-(phenylmethyl) (Z)-3-(butylamino)-4-methyl-pent-2-enethioate Openeye Name: S-benzyl (Z)-3-(butylamino)-4-methyl-pent-2-enethioate CAS Name: (Z)-3-(butylamino)-4-methyl-2-pentenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (Z)-3-(butylamino)-4-methylpent-2-enethioate Traditional Name: (Z)-3-(butylamino)-4-methyl-pent-2-enethioic acid S-benzyl ester Formula: C17H25NOS MolecularWeight: 291.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=CC(=O)SCC1=CC=CC=C1)C(C)C

Isomeric SMILES

CCCCN/C(=C\C(=O)SCC1=CC=CC=C1)/C(C)C

InChI

InChI=1S/C17H25NOS/c1-4-5-11-18-16(14(2)3)12-17(19)20-13-15-9-7-6-8-10-15/h6-10,12,14,18H,4-5,11,13H2,1-3H3/b16-12-