ethyl 2-[[5-(3-phenothiazin-10-ylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(3-phenothiazin-10-ylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(3-phenothiazin-10-ylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[1-oxo-3-(10-phenothiazinyl)propyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-phenothiazin-10-ylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-phenothiazin-10-ylpropanoylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H20N4O3S3/c1-2-28-19(27)13-29-21-24-23-20(31-21)22-18(26)11-12-25-14-7-3-5-9-16(14)30-17-10-6-4-8-15(17)25/h3-10H,2,11-13H2,1H3,(H,22,23,26)