N-[2-[2-[(E,3Z)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-2H-1,3-benzothiazol-1-ium-3-yl]ethanoyl]sulfamate; methane

Systemtic Name: N-[2-[2-[(E,3Z)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-2H-1,3-benzothiazol-1-ium-3-yl]ethanoyl]sulfamate; methane Openeye Name: N-[2-[2-[(E,3Z)-3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-2H-1,3-benzothiazol-1-ium-3-yl]acetyl]sulfamate; methane CAS Name: N-[2-[2-[(E,3Z)-3-(3-ethyl-2-thiazolidinylidene)prop-1-enyl]-2H-1,3-benzothiazol-1-ium-3-yl]-1-oxoethyl]sulfamate; methane IUPAC Name: N-[2-[2-[(E,3Z)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)prop-1-enyl]-2H-1,3-benzothiazol-1-ium-3-yl]acetyl]sulfamate; methane Traditional Name: N-[2-[2-[(E,3Z)-3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-2H-1,3-benzothiazol-1-ium-3-yl]acetyl]sulfamate; methane Formula: C18H25N3O4S3 MolecularWeight: 443.6038

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Descriptors Computed from Structure

Canonical SMILES:

C.CCN1CCSC1=CC=CC2N(C3=CC=CC=C3[SH+]2)CC(=O)NS(=O)(=O)[O-]

Isomeric SMILES

C.CCN\1CCS/C1=C\C=C\C2N(C3=CC=CC=C3[SH+]2)CC(=O)NS(=O)(=O)[O-]

InChI

InChI=1S/C17H21N3O4S3.CH4/c1-2-19-10-11-25-16(19)8-5-9-17-20(12-15(21)18-27(22,23)24)13-6-3-4-7-14(13)26-17;/h3-9,17H,2,10-12H2,1H3,(H,18,21)(H,22,23,24);1H4/b9-5+,16-8-;