ethyl 4-[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(3-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H25N3O4S/c1-3-34-27(32)18-11-13-20(14-12-18)28-25(31)17-35-26-16-24(19-7-6-8-21(15-19)33-2)29-22-9-4-5-10-23(22)30-26/h4-15H,3,16-17H2,1-2H3,(H,28,31)