ethyl 4-[(2S)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2S)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2S)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)O

InChI

InChI=1S/C25H26N4O4S/c1-2-32-24(31)16-7-11-19(12-8-16)33-14-18(30)15-34-25-28-27-23(29(25)17-9-10-17)21-13-26-22-6-4-3-5-20(21)22/h3-8,11-13,17-18,27,30H,2,9-10,14-15H2,1H3/t18-/m0/s1