S-azanyl 4-[4-[2-[(3-chloranyl-2-ethyl-pyridin-4-yl)-propan-2-yloxycarbonyl-amino]-2-oxidanylidene-ethyl]phenoxy]benzenecarbothioate

Systemtic Name: S-azanyl 4-[4-[2-[(3-chloranyl-2-ethyl-pyridin-4-yl)-propan-2-yloxycarbonyl-amino]-2-oxidanylidene-ethyl]phenoxy]benzenecarbothioate Openeye Name: S-amino 4-[4-[2-[(3-chloro-2-ethyl-4-pyridyl)-isopropoxycarbonyl-amino]-2-oxo-ethyl]phenoxy]benzenecarbothioate CAS Name: 4-[4-[2-[(3-chloro-2-ethyl-4-pyridinyl)-[oxo(propan-2-yloxy)methyl]amino]-2-oxoethyl]phenoxy]benzenecarbothioic acid S-amino ester IUPAC Name: S-amino 4-[4-[2-[(3-chloro-2-ethylpyridin-4-yl)-propan-2-yloxycarbonylamino]-2-oxoethyl]phenoxy]benzenecarbothioate Traditional Name: 4-[4-[2-[(3-chloro-2-ethyl-4-pyridyl)-isopropoxycarbonyl-amino]-2-keto-ethyl]phenoxy]thiobenzoic acid S-amino ester Formula: C26H26ClN3O5S MolecularWeight: 528.01974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1Cl)N(C(=O)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)SN)C(=O)OC(C)C

Isomeric SMILES

CCC1=NC=CC(=C1Cl)N(C(=O)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)SN)C(=O)OC(C)C

InChI

InChI=1S/C26H26ClN3O5S/c1-4-21-24(27)22(13-14-29-21)30(26(33)34-16(2)3)23(31)15-17-5-9-19(10-6-17)35-20-11-7-18(8-12-20)25(32)36-28/h5-14,16H,4,15,28H2,1-3H3