1,3-bis(chloranyl)propan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C14H14Cl2N2O3S MolecularWeight: 361.24356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)OC(CCl)CCl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)OC(CCl)CCl

InChI

InChI=1S/C14H14Cl2N2O3S/c15-7-9(8-16)21-13(20)6-5-12(19)18-14-17-10-3-1-2-4-11(10)22-14/h1-4,9H,5-8H2,(H,17,18,19)