5-methyl-4,4-bis(oxidanylidene)-N-(2-pyrrolidin-1-ylethoxy)thieno[3,2-c][2,1]benzothiazepin-10-imine

Systemtic Name: 5-methyl-4,4-bis(oxidanylidene)-N-(2-pyrrolidin-1-ylethoxy)thieno[3,2-c][2,1]benzothiazepin-10-imine Openeye Name: 5-methyl-4,4-dioxo-N-(2-pyrrolidin-1-ylethoxy)thieno[3,2-c][2,1]benzothiazepin-10-imine CAS Name: 5-methyl-4,4-dioxo-N-[2-(1-pyrrolidinyl)ethoxy]-10-thieno[3,2-c][2,1]benzothiazepinimine IUPAC Name: 5-methyl-4,4-dioxo-N-(2-pyrrolidin-1-ylethoxy)thieno[3,2-c][2,1]benzothiazepin-10-imine Traditional Name: (E)-(4,4-diketo-5-methyl-thieno[3,2-c][2,1]benzothiazepin-10-ylidene)-(2-pyrrolidinoethoxy)amine Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NOCCN3CCCC3)C4=C(S1(=O)=O)C=CS4

Isomeric SMILES

CN1C2=CC=CC=C2/C(=N\OCCN3CCCC3)/C4=C(S1(=O)=O)C=CS4

InChI

InChI=1S/C18H21N3O3S2/c1-20-15-7-3-2-6-14(15)17(18-16(8-13-25-18)26(20,22)23)19-24-12-11-21-9-4-5-10-21/h2-3,6-8,13H,4-5,9-12H2,1H3/b19-17+