4-[2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethoxy]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazino]ethoxy]-4-keto-butyric acid Formula: C24H27ClN2O4S MolecularWeight: 475.00018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)CCC(=O)O)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CN(CCN1CCOC(=O)CCC(=O)O)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C24H27ClN2O4S/c25-18-5-6-21-17(15-18)16-20(19-3-1-2-4-22(19)32-21)27-11-9-26(10-12-27)13-14-31-24(30)8-7-23(28)29/h1-6,15,20H,7-14,16H2,(H,28,29)